Molecule card · MolClass #42545
14727737
14727737: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 14727737Mitochondrial Fusion · compound_name
- MolClass ID
- 42545
- InChIKey
- MZJYKUBJAKVQSO-LICLKQGHSA-N
- Canonical SMILES
- CCOC(=O)c2c(N=CN(C)C)c(C#N)c1CCCCn12
- Standard InChI
- InChI=1S/C15H20N4O2/c1-4-21-15(20)14-13(17-10-18(2)3)11(9-16)12-7-5-6-8-19(12)14/h10H,4-8H2,1-3H3/b17-10+
- Stored Murcko scaffold
- c1cc2n(c1)CCCC2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- 14734580#37998
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 70.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 288.345 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.744
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 14727737